云南高校图书馆联盟文献共享服务平台- FIRST

检索规则说明：AND代表“并且”；OR代表“或者”；NOT代表“不包含”；(注意必须大写,运算符两边需空一格)

检索范例：范例一： (K=图书馆学 OR K=情报学) AND A=范并思　　　　范例二：J=计算机应用与软件 AND (U=C++ OR U=Basic) NOT M=Visual

全部期刊核心期刊 EI来源期刊 SCI来源期刊 CA来源期刊 CSCD来源期刊 CSSCI来源期刊

A ten-fold coordinated high-pressure structure in hafnium dihydrogen with increasing superconducting transition temperature induced by enhancive pressure: 《Chinese Physics B》2023年第9期455-462,共8页王妍琪张传钊张金权李松巨濛孙伟国豆喜龙金园园; the National Natural Science Foundation of China(Grant Nos.11804031 and 11904297);the Scientific Research Project of Education Department of Hubei Province,China(Grant No.Q20191301);the Fundamental Research Funds for the Central Universities(Grant No.SWUKT22049);the Chongqing Talent Plan for Young Top Notch Talents,China(Grant No.202005007)。; High pressure is an effective method to induce structural and electronic changes,creating novel high-pressure structures with excellent physical and chemical properties.Herein,we investigate the structural phase trans...; 关键词：transition metal dihydrogen first principles phase transition superconducting transition temperature

Two-dimensional CrP_(2) with high specific capacity and fast charge rate for lithium-ion battery: 《Chinese Physics B》2023年第6期489-494,共6页王晓允荆涛梁冬梅; Project supported by the National Natural Science Foundation of China(Grant No.11964006);the Science and Technology Foundation of Kaili University(Grant No.2022ZD06);the Specialized Research Fund for the Doctoral Program of Kaili University(Grant Nos.BS201601 and BS201702)。; The electrode material is regarded as one of the key factors that determine the performance of lithium-ion batteries(LIBs).However,it is still a challenge to search for an anode material with large capacity,low diffus...; 关键词：lithium-ion battery electronic structure first principles

First principles study of hafnium intercalation between graphene and Ir(111)substrate: 《Chinese Physics B》2022年第10期473-477,共5页Hao Peng Xin Jin Yang Song Shixuan Du; Project supported by the National Natural Science Foundation of China(Grant No.61888102);the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB30000000);the Fundamental Research Funds for the Central Universities,China。; The intercalation of heteroatoms between graphene and metal substrates is a promising method for integrating epitaxial graphene with functional materials.Various elements and their oxides have been successfully interc...; 关键词：first principles calculation INTERCALATION GRAPHENE HAFNIUM

First principles investigation on Li or Sn codoped hexagonal tungsten bronzes as the near-infrared shielding material被引量：1: 《Chinese Physics B》2022年第5期677-682,共6页Bo-Shen Zhou Hao-Ran Gao Yu-Chen Liu Zi-Mu Li Yang-Yang Huang Fu-Chun Liu Xiao-Chun Wang; The 52%energy of the solar radiation is contributed by near-infrared radiation(NIR,780-2500 nm).Therefore,the material design for the energy-saving smart window,which can effectively shield NIR and has acceptable visi...; 关键词：density functional theory electronic structure near-infrared radiation shielding material

Boron at tera-Pascal pressures: 《Chinese Physics B》2022年第3期444-448,共5页Peiju Hu Junhao Peng Xing Xie Minru Wen Xin Zhang Fugen Wu Huafeng Dong; Project supported by the Guangdong Natural Science Foundation of China (Grant Nos. 2017B030306003 and 2019B1515120078);the National Natural Science Foundation of China (Grant No. 11804057)。; The study of boron structure is fascinating because boron has various allotropes containing boron icosahedrons under pressure. Here, we propose a new boron structure(space group Fm3m) that is dynamically stable at 1.4...; 关键词：BORON high-pressure prediction first principles USPEX

First principles study on geometric and electronic properties of two-dimensional Nb_(2)CT_(x) MXenes: 《Chinese Physics B》2022年第3期504-510,共7页Guoliang Xu Jing Wang Xilin Zhang Zongxian Yang; Project supported by the National Natural Science Foundation of China (Grant Nos. U1804130, U2004212, 11904084, and 11874141);the Henan Overseas Expertise Introduction Center for Discipline Innovation (Grant No. CXJD2019005);the China Postdoctoral Science Foundation (Grant No. 2021M690933);the Key Scientific Research Projects of Henan Education Department, China (Grant No. 22A140020)。; MXenes are a new type of two-dimensional carbides with rich physical and chemical properties. The physics of MXenes, and thus the applications, are dominated by surface functional groups. Herein, the effects of differ...; 关键词：Nb_(2)C MXenes surface functional groups geometric structure electronic properties

C9N4 as excellent dual electrocatalyst:A first principles study: 《Chinese Physics B》2021年第9期424-428,共5页Wei Xu WenWu Xu Xiangmei Duan; Project supported by the National Natural Science Foundation of China (Grant Nos. 11574167 and 11874033);the K C Wong Magna Foundation in Ningbo University; We perform first principles calculations to investigate the catalytic behavior of C_(9)N_(4)nanosheet for water splitting.For the pristine C_(9)N_(4),we find that,at different hydrogen coverages,two H atoms adsorbed o...; 关键词：C_(9)N_(4)nanosheets dual electrocatalyst hydrogen evolution reaction oxygen evolution reaction

Strain-modulated ultrafast magneto-optic dynamics of graphene nanoflakes decorated with transition-metal atoms: 《Chinese Physics B》2021年第9期520-527,共8页Yiming Zhang Jing Liu Chun Li Wei Jin Georgios Lefkidis Wolfgang Hubner; Project supported by the National Natural Science Foundation of China(Grant Nos.11872309,12172293,and 11504223)the Natural Science Basic Research Plan in Shaanxi Province,China(Grant No.2020JM-120);the Program of China Scholarships Council(Grant No.201906295029).; We perform first-principles calculations and coherent laser-matter interaction analyses to investigate the laser-induced ultrafast spin flip on graphene nanoflakes(GNFs)with transition metal elements attached on the b...; 关键词：graphene nanoflakes straintronics spin dynamics strain effect first principles

First principles study of behavior of helium at Fe(110)-graphene interface: 《Chinese Physics B》2021年第4期432-437,共6页Yan-Mei Jing Shao-Song Huang; Project supported by the Nuclear Power Technology Innovation Center Program;National Defense Science&Technology Industry,China(Grant No.HDLCXZX-2019-ZH-028)。; Recently,metal-graphene nanocomposite system has aroused much interest due to its radiation tolerance behavior.However,the related atomic mechanism for the metal-graphene interface is still unknown.Further,stainless s...; 关键词：Fe(110)-graphene HELIUM INTERFACE first principles calculations

Structure prediction, electronic, and mechanical properties of alkali metal MB_(12)(=Be, Mg, Ca, Sr) from first principles被引量：2: 《Chinese Physics B》2021年第1期464-470,共7页Chun-Ying Pu Rong-Mei Yu Ting Wang Zhen-Yan Xüe Yong-Sheng Zhu Da-Wei Zhou; Projected supported by the National Natural Science Foundation of China(Grant Nos.U1904179,U1904178,and 51501093);the Key Science Fund of Educational Department of Henan Province,China(Grant Nos.19A140013 and 20B140010);the Science Technology Innovation Talents Fund in Universities of Henan Province,China(Grant No.19HASTIT019)。; Using the particle swarm optimization algorithm on structural search methods, we focus our crystal structures search on boron-rich alkali metal compounds of MB_(12)(M = Be, Mg, Ca, Sr) with simulation cell sizes of 1...; 关键词：first-principles calculations structure searching mechanical properties boron-rich alkali-metal compounds

高级检索 检索式检索

时间限定

期刊范围

学科限定全选

高级检索 检索式检索

时间限定

期刊范围

学科限定全选

FIRST_PRINCIPLES

检索结果分析

下载全文

高级检索检索式检索

时间限定

期刊范围

学科限定全选

高级检索 检索式检索

时间限定

期刊范围

学科限定全选

FIRST_PRINCIPLES

检索结果分析

下载全文

用户登录

高级检索检索式检索